4-Hydroxy-3-quinolinecarboxylic acid

Basic Information

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CAS Number

13721-01-2

Molecular Formula

C10H7NO3

Molecular Weight

189.17 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

269-270 ºC

Boiling Point

358 ºC

Flash Point

171 ºC

Refractive Index

1.638

SMILES

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C1=CC=C2C(=C1)C(=O)C(=CN2)C(=O)O

InChI

InChI=1S/C10H7NO3/c12-9-6-3-1-2-4-8(6)11-5-7(9)10(13)14/h1-5H,(H,11,12)(H,13,14)

InChIKey

ILNJBIQQAIIMEY-UHFFFAOYSA-N

LogP

1.2263

Topological Polar Surface Area

70.16 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

309

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

EC 604-008-0
NS00005349
4-oxo-1,4-dihydroquinoline-3-carboxylic acid
BCP08207
SCHEMBL377150
1,4-dihydro-4-oxoquinoline-3-carboxylic acid
GJP
TimTec1_001724
CS-M2264
J-650307
1,4-dihydro-4-oxo-3-quinolinecarboxylic acid
CCG-126705
SY003660
AB00672488-01
Oprea1_318687
4-oxoquinoline-3-carboxylic acid
AKOS000268309
CHEMBL158890
AC-907/34127058
4-Hydroxy-quinoline-3-carboxylic acid
4-Oxo-1,4-dihydroquinoline Carboxylic Acid
HMS1616O17
DTXSID70956267
AKOS000273146
FT-0694718
4-oxo-1,4-dihydro-3-quinolinecarboxylic acid, AldrichCPR
34785-11-0
SR-01000425951-1
4-oxo-1H-quinoline-3-carboxylic acid
3-Quinolinecarboxylicacid, 4-hydroxy-
4-HYDROXYQUINOLINE-3-CARBOXYLICACID

MDL Number

MFCD00598887

Customs Code

2918300090

FAQ

What are the physical and chemical properties of 4-Hydroxy-3-quinolinecarboxylic acid (CAS: 13721-01-2)?

4-Hydroxy-3-quinolinecarboxylic acid (CAS: 13721-01-2) is a crystalline solid with a molecular weight of approximately 181.16 g/mol. It is poorly soluble in water but soluble in many organic solvents. The compound is highly reactive and forms complexes with various metal ions. It is known for its acid functionality and can undergo various chemical reactions such as esterification and condensation.

How is 4-Hydroxy-3-quinolinecarboxylic acid (CAS: 13721-01-2) typically synthesized?

4-Hydroxy-3-quinolinecarboxylic acid (CAS: 13721-01-2) is typically synthesized through the reaction of 3-quinolinecarboxaldehyde with hydroxylamine hydrochloride followed by acidification. The synthesis involves the condensation of the aldehyde with the amine, which then undergoes acid hydrolysis to yield the final carboxylic acid product. The yield from this reaction is typically around 70-80%, with high selectivity towards the desired product.

What industries use 4-Hydroxy-3-quinolinecarboxylic acid (CAS: 13721-01-2)?

4-Hydroxy-3-quinolinecarboxylic acid (CAS: 13721-01-2) is used in the pharmaceutical industry for the synthesis of certain drugs, particularly those that require acid functionalities. It is also used in the polymer industry for the preparation of functionalized polymers and in the production of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling 4-Hydroxy-3-quinolinecarboxylic acid (CAS: 13721-01-2)?

Proper handling of 4-Hydroxy-3-quinolinecarboxylic acid (CAS: 13721-01-2) requires the use of personal protective equipment (PPE) such as gloves, goggles, and a lab coat. It should be handled in a well-ventilated area or within a fume hood due to its potential for releasing toxic vapors. In case of a spill, the area should be immediately flushed with water and the affected area cleaned properly. Always refer to the Safety Data Sheet (SDS) for detailed handling and disposal instructions.